3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline

C26H22N2O — CID 51359837

IUPAC3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline
SMILESCOc1ccc(Cc2c(-c3ccccc3)nc3c4ccccc4ccn23)c(C)c1
InChIInChI=1S/C26H22N2O/c1-18-16-22(29-2)13-12-21(18)17-24-25(20-9-4-3-5-10-20)27-26-23-11-7-6-8-19(23)14-15-28(24)26/h3-16H,17H2,1-2H3
InChIKeyBZBGXFFAGLYGBM-UHFFFAOYSA-N
MW378.48 g/mol
LogP6.06
Rot. Bonds4

About 3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline

3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline (PubChem CID 51359837) has the molecular formula C26H22N2O and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline
PubChem CID51359837
Molecular FormulaC26H22N2O
Molecular Weight378.48 g/mol
Exact Mass378.17
IUPAC Name3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline
SMILESCOc1ccc(Cc2c(-c3ccccc3)nc3c4ccccc4ccn23)c(C)c1
InChIInChI=1S/C26H22N2O/c1-18-16-22(29-2)13-12-21(18)17-24-25(20-9-4-3-5-10-20)27-26-23-11-7-6-8-19(23)14-15-28(24)26/h3-16H,17H2,1-2H3
InChIKeyBZBGXFFAGLYGBM-UHFFFAOYSA-N
XLogP6.06
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline?
The IUPAC name of 3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline (CID 51359837) is 3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline?
The canonical SMILES for 3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline is COc1ccc(Cc2c(-c3ccccc3)nc3c4ccccc4ccn23)c(C)c1.
What is the InChIKey of 3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline?
The InChIKey is BZBGXFFAGLYGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O/c1-18-16-22(29-2)13-12-21(18)17-24-25(20-9-4-3-5-10-20)27-26-23-11-7-6-8-19(23)14-15-28(24)26/h3-16H,17H2,1-2H3.
What are the key properties of 3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline?
3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline has a molecular weight of 378.48 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 51359837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).